5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride

C13H15ClN2O — CID 22923991

IUPAC5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride
SMILESCl.Oc1cccc2c1CCCC2c1cnc[nH]1
InChIInChI=1S/C13H14N2O.ClH/c16-13-6-2-3-9-10(4-1-5-11(9)13)12-7-14-8-15-12;/h2-3,6-8,10,16H,1,4-5H2,(H,14,15);1H
InChIKeyMWXLMWDVMFNAPJ-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.01
Rot. Bonds1

About 5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride

5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride (PubChem CID 22923991) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride.

Molecular Properties

Compound Name5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride
PubChem CID22923991
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride
SMILESCl.Oc1cccc2c1CCCC2c1cnc[nH]1
InChIInChI=1S/C13H14N2O.ClH/c16-13-6-2-3-9-10(4-1-5-11(9)13)12-7-14-8-15-12;/h2-3,6-8,10,16H,1,4-5H2,(H,14,15);1H
InChIKeyMWXLMWDVMFNAPJ-UHFFFAOYSA-N
XLogP3.01
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 10775000
5-(5-isothiocyanato-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole
CID 10422502
5-(8-bromo-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole
CID 169087997
(1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 86336246
(5R)-5-(pyrimidin-5-ylmethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 124623409
carbanide;methanol;1,2,3,4-tetrahydronaphthalene-1,5-diol;titanium;titanium(2+)
CID 20637491
5-(1,2,3,4,5,6-hexahydropentalen-1-yl)-1H-imidazole
CID 45120848
5-(2-bromoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 57052297
5-(6-methoxy-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-1H-imidazole
CID 18405300
5-(pyrrolidin-2-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 105490085
[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl] acetate
CID 92978915
carbanide;methanol;bis(1,2,3,4,5-pentamethylcyclopentane);1,2,3,4-tetrahydronaphthalene-1,5-diol;titanium;titanium(2+)
CID 162294570

Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride?
The IUPAC name of 5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride (CID 22923991) is 5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride.
What is the SMILES notation for 5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride?
The canonical SMILES for 5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride is Cl.Oc1cccc2c1CCCC2c1cnc[nH]1.
What is the InChIKey of 5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride?
The InChIKey is MWXLMWDVMFNAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O.ClH/c16-13-6-2-3-9-10(4-1-5-11(9)13)12-7-14-8-15-12;/h2-3,6-8,10,16H,1,4-5H2,(H,14,15);1H.
What are the key properties of 5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride?
5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride has a molecular weight of 250.73 g/mol, XLogP of 3.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride is sourced from PubChem (CID 22923991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).